2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide

C14H22N4O6S3 — CID 10575017

IUPAC2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide
SMILESCCN(C(=O)CNC(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H22N4O6S3/c1-3-18(12(20)7-17-11(19)6-15)10-4-8(2)26(21,22)14-9(10)5-13(25-14)27(16,23)24/h5,8,10H,3-4,6-7,15H2,1-2H3,(H,17,19)(H2,16,23,24)
InChIKeyFIILXIFYOLLKPV-UHFFFAOYSA-N
MW438.55 g/mol
LogP-1.07
Rot. Bonds6

About 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide (PubChem CID 10575017) has the molecular formula C14H22N4O6S3 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide
PubChem CID10575017
Molecular FormulaC14H22N4O6S3
Molecular Weight438.55 g/mol
Exact Mass438.07
IUPAC Name2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide
SMILESCCN(C(=O)CNC(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H22N4O6S3/c1-3-18(12(20)7-17-11(19)6-15)10-4-8(2)26(21,22)14-9(10)5-13(25-14)27(16,23)24/h5,8,10H,3-4,6-7,15H2,1-2H3,(H,17,19)(H2,16,23,24)
InChIKeyFIILXIFYOLLKPV-UHFFFAOYSA-N
XLogP-1.07
TPSA169.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide (CID 10575017) is 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide is CCN(C(=O)CNC(=O)CN)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is FIILXIFYOLLKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O6S3/c1-3-18(12(20)7-17-11(19)6-15)10-4-8(2)26(21,22)14-9(10)5-13(25-14)27(16,23)24/h5,8,10H,3-4,6-7,15H2,1-2H3,(H,17,19)(H2,16,23,24).
What are the key properties of 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 10575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).